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Effect of hydrostatic pressure on charge carriers in a conducting pyrrole- co -poly(pyrrole-3-carboxylic) copolymer.

Adam MizeraSylwia ZiębaMichał BielejewskiAlina T DubisAndrzej Łapiński
Published in: Physical chemistry chemical physics : PCCP (2024)
The charge carriers in conducting pyrrole- co -poly(pyrrole-3-carboxylic) were examined using high-pressure Raman spectroscopy. The molecular structure of the new copolymer was investigated using high-resolution 13 C ssNMR, 1 H- 13 C 2D NMR correlation spectroscopy, and density functional theory (DFT) calculations. Bands in Raman spectra that showed the presence of polarons and bipolarons were studied. It was observed that the quantity of polarons and bipolarons correlated with the hydrostatic pressure. At a pressure of 4 GPa, an anomaly in the correlation between pressure and the position of the Raman band was identified.
Keyphrases
  • density functional theory
  • raman spectroscopy
  • high resolution
  • molecular dynamics
  • magnetic resonance
  • solid state
  • single molecule
  • molecular dynamics simulations